Structure Database (LMSD)

Common Name
Eucalyptin
Systematic Name
4',7-Dimethoxy-6,8-dimethyl-5-hydroxyflavone
Synonyms
LM ID
LMPK12111028
Formula
C19H18O5
Exact Mass
Calculate m/z
326.115425
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
NHMMAMIRMITGRD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O5/c1-10-17(21)16-14(20)9-15(12-5-7-13(22-3)8-6-12)24-19(16)11(2)18(10)23-4/h5-9,21H,1-4H3
SMILES (Click to copy)
C1(OC)=C(C)C2OC(C3C=CC(OC)=CC=3)=CC(=O)C=2C(O)=C1C

Other Databases

METABOLOMICS ID
FL3FCBNM0002
PubChem CID
76573

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 290.31
Topological Polar Surface Area 68.90
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 4.70
Molar Refractivity 92.27

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